N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide

C21H22N4O4 — CID 121180011

IUPACN'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NCC(O)c2ccc3c(ccn3C)c2)cc1
InChIInChI=1S/C21H22N4O4/c1-13(26)23-16-4-6-17(7-5-16)24-21(29)20(28)22-12-19(27)15-3-8-18-14(11-15)9-10-25(18)2/h3-11,19,27H,12H2,1-2H3,(H,22,28)(H,23,26)(H,24,29)
InChIKeyNGQXKFSBKOULIB-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.92
Rot. Bonds5

About N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide

N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide (PubChem CID 121180011) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
PubChem CID121180011
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NCC(O)c2ccc3c(ccn3C)c2)cc1
InChIInChI=1S/C21H22N4O4/c1-13(26)23-16-4-6-17(7-5-16)24-21(29)20(28)22-12-19(27)15-3-8-18-14(11-15)9-10-25(18)2/h3-11,19,27H,12H2,1-2H3,(H,22,28)(H,23,26)(H,24,29)
InChIKeyNGQXKFSBKOULIB-UHFFFAOYSA-N
XLogP1.92
TPSA112.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
N'-(3-chloro-4-fluorophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 91817742
N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 121179976
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 121180021
1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea
CID 124855662
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179980
N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613622
methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
CID 91817661
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
CID 124760949
2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 124843487

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide?
The IUPAC name of N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide (CID 121180011) is N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide.
What is the SMILES notation for N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide?
The canonical SMILES for N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide is CC(=O)Nc1ccc(NC(=O)C(=O)NCC(O)c2ccc3c(ccn3C)c2)cc1.
What is the InChIKey of N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide?
The InChIKey is NGQXKFSBKOULIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13(26)23-16-4-6-17(7-5-16)24-21(29)20(28)22-12-19(27)15-3-8-18-14(11-15)9-10-25(18)2/h3-11,19,27H,12H2,1-2H3,(H,22,28)(H,23,26)(H,24,29).
What are the key properties of N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide?
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide has a molecular weight of 394.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetamidophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide is sourced from PubChem (CID 121180011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).